(1,3-diphenylpyrazol-4-yl)methyl 3-(2-phenylethanoylamino)propanoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 3-(2-phenylethanoylamino)propanoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate CAS Name: 3-[(1-oxo-2-phenylethyl)amino]propanoic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate Traditional Name: 3-[(2-phenylacetyl)amino]propionic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C27H25N3O3 MolecularWeight: 439.5057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NCCC(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NCCC(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3/c31-25(18-21-10-4-1-5-11-21)28-17-16-26(32)33-20-23-19-30(24-14-8-3-9-15-24)29-27(23)22-12-6-2-7-13-22/h1-15,19H,16-18,20H2,(H,28,31)